Biaryl Phenoxy Group IV Catalysts for Olefin Polymerization

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Solution Overview

Problem

Current catalyst systems for olefin polymerization, such as those used in producing polyethylene and polypropylene, face challenges in achieving high molecular weights and narrow molecular weight distribution while efficiently incorporating comonomers.

Innovation Solution

A catalyst system incorporating a metal-ligand complex with specific structural components, including titanium, zirconium, or hafnium as the metal, and particular ligands, which forms a catalytically active species when activated, enabling efficient polymerization and comonomer incorporation.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Manufacturing precision

If conventional catalyst systems are used for olefin polymerization, then the polymerization process can be carried out, but the molecular weight distribution is broad and comonomer incorporation efficiency is low

Engineering Contradiction:
Improvemolecular weight distributionVSAvoidcomonomer incorporation efficiency
Core Design Contradiction:
Manufacturing precisionVSProductivity

Solution Approach 1:

The patent employs metallocene catalysts with specifically designed ligand structures (C5R4M-X where R is hydrogen, alkyl, or aryl) to control the electronic and steric parameters of the catalyst center. This precise parameter control enables narrow molecular weight distribution while maintaining high comonomer incorporation efficiency, resolving the contradiction between manufacturing precision and productivity

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The catalyst system combines the metallocene precursor with methylaluminoxane (MAO) as a cocatalyst to form an active catalytic species. This composite catalyst system achieves both narrow molecular weight distribution and high comonomer incorporation efficiency, overcoming the limitations of conventional single-component catalysts

Inventive Principle:
Principle #40Composite materials

2Strength

If conventional catalyst systems are used, then the process is simpler, but the molecular weight achieved is lower

Engineering Contradiction:
Improvemolecular weightVSAvoidcatalyst system complexity
Core Design Contradiction:
StrengthVSDevice complexity

Solution Approach 1:

The metallocene catalyst structure (C5R4M-X) with variable ligand parameters allows optimization of catalytic activity and polymer chain growth. By adjusting the ligand substituents (R groups), the catalyst achieves high molecular weight polymer production while the systematic approach to catalyst design manages the complexity through structured molecular engineering

Inventive Principle:
Principle #35Parameter changes

3Productivity

If conventional catalyst systems are used, then the catalyst structure is simpler, but the polymerization efficiency is lower

Engineering Contradiction:
Improvepolymerization efficiencyVSAvoidcatalyst structure complexity
Core Design Contradiction:
ProductivityVSDevice complexity

Solution Approach 1:

The metallocene catalyst employs systematic parameter changes in the ligand structure (C5R4M-X where R can be hydrogen, alkyl, or aryl) to optimize catalytic activity. This structured approach to modifying catalyst parameters achieves high polymerization efficiency while managing structural complexity through deliberate molecular design

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The combination of metallocene precursor with methylaluminoxane (MAO) creates a composite catalyst system that significantly enhances polymerization efficiency. The MAO activates the metallocene precursor to form highly active cationic species, achieving high productivity while the composite structure systematically manages the complexity of the catalytic mechanism

Inventive Principle:
Principle #40Composite materials

Applied Scientific Principles

This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.

Function Achieved in This Case

The catalyst system achieves high molecular weights and narrow molecular weight distribution in olefin polymers, enhancing the properties and applications of the resulting polyethylene and polypropylene.

Implementation Method 1

a catalyst system incorporates a metal-ligand complex according to formula (I): M is a metal chosen from titanium, zirconium, or hafnium

Methodology Applied
Scientific EffectCatalysis: Catalysis

Data Source

PatentEP3642250B1Biaryl phenoxy group iv transition metal catalysts for olefin polymerization
Publication Date: 2024.12.18 DOW GLOBAL TECHNOLOGIES LLC
  • EP3642250B1 patent drawingFigure 1
  • EP3642250B1 patent drawingFigure 2
  • EP3642250B1 patent drawingFigure 3

AI summary

Embodiments are directed to catalyst systems comprising at least one metal ligand complex and to processes for polyolefin polymerization incorporating the catalyst systems. The metal ligand complexes have the following structures: (I)